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• W2167730002 abstract "We have calculated the self-consistent Green's function for a number of atoms and diatomic molecules. This Green's function is obtained from a conserving self-energy approximation, which implies that the observables calculated from the Green's functions agree with the macroscopic conservation laws for particle number, momentum, and energy. As a further consequence, the kinetic and potential energies agree with the virial theorem, and the many possible methods for calculating the total energy all give the same result. In these calculations we use the finite temperature formalism and calculate the Green's function on the imaginary time axis. This allows for a simple extension to nonequilibrium systems. We have compared the energies from self-consistent Green's functions to those of nonselfconsistent schemes and also calculated ionization potentials from the Green's functions by using the extended Koopmans' theorem." @default.
• W2167730002 created "2016-06-24" @default.
• W2167730002 creator A5006348044 @default.
• W2167730002 creator A5082074710 @default.
• W2167730002 date "2005-04-22" @default.
• W2167730002 modified "2023-10-17" @default.
• W2167730002 title "Self-consistent solution of the Dyson equation for atoms and molecules within a conserving approximation" @default.
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• W2167730002 doi "https://doi.org/10.1063/1.1884965" @default.
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